N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide

C16H13FN4O — CID 3245718

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C16H13FN4O/c17-14-3-1-12(2-4-14)11-21-10-7-15(20-21)19-16(22)13-5-8-18-9-6-13/h1-10H,11H2,(H,19,20,22)
InChIKeyJQOVXEHJEDLNEV-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.72
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide (PubChem CID 3245718) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
PubChem CID3245718
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C16H13FN4O/c17-14-3-1-12(2-4-14)11-21-10-7-15(20-21)19-16(22)13-5-8-18-9-6-13/h1-10H,11H2,(H,19,20,22)
InChIKeyJQOVXEHJEDLNEV-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
N-(2,4-difluorophenyl)-6-(1H-1,2,4-triazol-1-yl)nicotinamide
CID 1475775
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11681507
2-(Methyl-3-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11716968

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide (CID 3245718) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide is O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccncc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
The InChIKey is JQOVXEHJEDLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-14-3-1-12(2-4-14)11-21-10-7-15(20-21)19-16(22)13-5-8-18-9-6-13/h1-10H,11H2,(H,19,20,22).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 3245718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).